2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine

C23H49N — CID 170537476

IUPAC2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C23H49N/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)20-22(11-5)17-14-8-2/h21-23H,7-20H2,1-6H3
InChIKeyQAPQKHIZZXSMTC-UHFFFAOYSA-N
MW339.65 g/mol
LogP7.69
Rot. Bonds17

About 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine

2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine (PubChem CID 170537476) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
PubChem CID170537476
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC Name2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C23H49N/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)20-22(11-5)17-14-8-2/h21-23H,7-20H2,1-6H3
InChIKeyQAPQKHIZZXSMTC-UHFFFAOYSA-N
XLogP7.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
CID 21150840
2-[carboxymethyl(heptan-3-yl)amino]acetic acid
CID 65065837
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
5-ethylnonane;5-propylnonane
CID 157441807
(3R)-N-[(2S)-2-ethylhexyl]-N-[(4-methylbenzotriazol-1-yl)methyl]octan-3-amine
CID 100913241

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine (CID 170537476) is 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine is CCCCC(CC)CN(CC(CC)CCCC)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine?
The InChIKey is QAPQKHIZZXSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)20-22(11-5)17-14-8-2/h21-23H,7-20H2,1-6H3.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine?
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 7.69, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine is sourced from PubChem (CID 170537476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).